3-(4-Methylpiperazin-1-Yl)-N-[(3-Nitrophenyl)Methyl]-7-(Trifluoromethyl)Quinolin-1-Ium-4A-Id-5-Amine

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Properties Simple | Detailed

Formula C22H23F3N5O2
IUPAC Name 3-(4-methylpiperazin-1-yl)-n-[(3-nitrophenyl)methyl]-7-(trifluoromethyl)quinolin-1-ium-4a-id-5-amine
Molecular Mass 446.445 g·mol−1
Heat of Formation -325.4 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 494.33 Å 3
Surface Area 441.46 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
InChIKey CMYHLXAUHDETFS-UHFFFAOYSA-N
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